CID 19819222

17900-98-0

Structural Information

Molecular Formula

C₁₄H₁₄N₄O₃

SMILES

C1=CC(=CC=C1NCCO)N=NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H14N4O3/c19-10-9-15-11-1-3-12(4-2-11)16-17-13-5-7-14(8-6-13)18(20)21/h1-8,15,19H,9-10H2

InChIKey

LWBSCZRRCBRJPN-UHFFFAOYSA-N

Compound name

2-[4-[(4-nitrophenyl)diazenyl]anilino]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 286.1066 Da
Monoisotopic Mass: 2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	287.113876	160.0
[M+Na]+	309.095818	164.6
[M-H]-	285.099324	167.9
[M+NH4]+	304.140423	174.0
[M+K]+	325.069758	157.8
[M+H-H2O]+	269.103860	155.2
[M+HCOO]-	331.104801	190.1
[M+CH3COO]-	345.120451	203.6
[M+Na-2H]-	307.081266	169.5
[M]+	286.10605142	158.8
[M]-	286.10714858	158.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe